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Materials Data on NdSi2Ni by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1207350· OSTI ID:1207350
NdNiSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to four equivalent Ni and ten Si atoms. All Nd–Ni bond lengths are 3.15 Å. There are a spread of Nd–Si bond distances ranging from 3.10–3.18 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Nd and five Si atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.36 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ni atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Si atoms. Both Si–Si bond lengths are 2.43 Å.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1207350
Report Number(s):
mp-3734
Country of Publication:
United States
Language:
English

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